Molecular mechanics calculations for ethers. The conformations of some crown ethers and the structure of the complex of 18-crown-6 with benzylammonium thiocyanate

Journal of the Chemical Society, Perkin Transactions 2

Volumn , Issue 10, 1980, Pages 1529-1543

  Bovill, Moira J ^a   Chadwick, Derek J ^a   Sutherland, Ian O ^a   Watkin, David ^b  

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 37049113097     PISSN: 1472779X     EISSN: None     Source Type: Journal    
DOI: 10.1039/p29800001529     Document Type: Article

References (45)

1. J. D. Dunitz and H. B. Burgi in ‘M.T.P. International Review of Science, Physical Chemistry Series Two,’ Butterworths, London, 1976, vol. II, ch. 4.
2. C. Altona and D. H. Faber, Topics Current Chem., 1974, 45, 1.
3. E. M. Engler, J. D. Andose, and P. von R. Schleyer, J. Amer. Chem. Soc., 1973, 95, 8005.
4. N. L. Allinger, Adv. Phys. Org. Chem., 1976, 13, 1.
5. D. N. J. White, Computer Chem., 1977, 1, 225.
6. N. L. Allinger, M. T. Tribble, M. A. Miller, and D. H. Wertz, J. Amer. Chem. Soc., 1971, 93, 1637
7. N. L. Allinger, J. Amer. Chem. Soc., 1977, 99, 8127
8. S. Fitzwater and L. S. Bartell, J. Amer. Chem. Soc., 1976, 98, 5107.
9. D. N. J. White and M. J. Bovill, J.C.S. Perkin II, 1977, 1610.
10. O. Ermer and S. Lifson, J. Amer. Chem. Soc., 1973, 95, 4121.
11. J. D. Andose and K. Mislow, J. Amer. Chem. Soc., 1974, 96, 2168, and references cited therein
12. K. Mislow, Accounts Chem. Res., 1976, 9, 26.
13. N. L. Allinger, M. T. Tribble, and M. A. Miller, Tetrahedron, 1972, 28, 1173.
14. T. Liljefors and N. L. Allinger, J. Amer. Chem. Soc., 1976, 98 2745.
15. A. Y. Meyer and N. L. Allinger, Tetrahedron, 1971, 31, 1975.
16. N. L. Allinger and D. Y. Chung, J. Amer. Chem. Soc., 1976, 98, 6798.
17. M. R. Johnson, I. O. Sutherland, and R. F. Newton, J.C.S. Perkin I 1979 357.
18. R. K. Harris and R. A. Spragg, J. Chem. Soc. (B), 1968, 684.
19. N. L. Allinger, J. A. Hirsch, M. A. Miller, and I. J. Tyminski, J. Amer. Chem. Soc., 1969, 91, 337.
20. M. A. Robb, W. J. Haines, and I. G. Csizmadia, J. Amer. Chem. Soc., 1973, 95, 42.
21. D. E. Brant and P. J. Flory, J. Amer. Chem. Soc., 1965, 87, 663, 2791.
22. L. J. Collins and D. N. Kirk, Tetrahedron Letters, 1970, 1547.
23. E. E. Astrup, Acta Chem. Scand., 1979, A33, 655.
24. P. Buckley and P. A. Giguère, Canad. J. Chem., 1967, 45, 397.
25. J. Dale, Tetrahedron, 1974, 30, 1683.
26. J. Dale, Acta Chem. Scand., 1973, 27, 1115.
27. J. Dale, G. Borgen, F. A. L. Anet, and J. Krane, J.C.S. Chem. Comm., 1974, 243.
28. J. Dale, personal communication.
29. F. A. L. Anet, J. Krane, J. Dale, K. Daasvatn, and P. O. Kristiansen, Acta Chem. Scand., 1973, 27, 3395.
30. P. Groth, Acta Chem. Scand., 1978, A32, 279.
31. J. Dale, Angew. Chem. Internat. Edn., 1966, 5, 1000.
32. P. Seiler, M. Dobler, and J. D. Dunitz, Acta Cryst., 1974, B30, 2744.
33. M. Dobler and R. P. Phizackerley, Acta Cryst., 1974, B30, 2746.
34. M. Dobler and R. P. Phizackerley, Acta Cryst., 1974, B30, 2748.
35. J. D. Dunitz and P. Seiler, Acta Cryst., 1974, B30, 2750.
36. O. Nagano, A. Kobayashi, and Y. Sasaki, Bull. Chem. Soc. Japan, 1978, 51, 790.
37. J. D. Dunitz and P. Seiler, Acta Cryst., 1974, B30, 2739.
38. M. Dobler, J. D. Dunitz, and P. Seiler, Acta Cryst., 1974, B30, 2741.
39. A. Knochel, J. Kopf, J. Oehler, and G. Rudolph, J.C.S. Chem. Comm., 1978, 595.
40. A. C. Coxon, D. A. Laidler, R. B. Pettman, and J. F. Stoddart, J. Amer. Chem. Soc., 1978, 100, 8262.
41. G. Borgen, J. Dale, and G. Teien, Acta Chem. Scand., to be published. We thank Professor Dale for a copy of the manuscript of this paper.
42. P. Groth, Acta Chem. Scand., 1978, A32, 91.
43. G. Germain, P. Main, and M. M. Woolfson, Acta Cryst., 1970, B26, 274.
44. J. M. Stewart, G. J. Kruger, H. L. Ammon, C. Dickinson, and S. R. Hall, Technical Report TR 192, Computer Science Centre, University of Maryland, 1972.
45. A. Warshel, M. Levitt, and S. Lifson, J. Mol. Spectroscopy, 1970, 33, 84.